SCHEMBL5406638

SCHEMBL5406638

CC1=C(C)C(=O)N(Cc2ccccc2)C([C@@H](C(C)C)N2CCN=C2c2ccc(C)cc2)=[N+]1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RGS4 P49798 1/20 0.38
▸ POLB P06746 3/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ MAPT P10636 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HIF1A Q16665 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4364853 0.75 ALDH1A1 (0.41) RGS4POLBMEN1KMT2ATSHR
SCHEMBL4364324 0.75 ALDH1A1 (0.41) RGS4POLBMEN1KMT2ATSHR
SCHEMBL4499166 0.74 ALDH1A1 (0.38) RGS4POLBMEN1KMT2ATSHR
SCHEMBL4363445 0.71 PDE1C (0.39) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL644779 0.67 KIF11 (0.54) MEN1KMT2AGAAALDH1A1CYP3A4
SCHEMBL521671 0.66 PTAFR (0.45) POLBGAAALDH1A1CYP3A4
SCHEMBL644181 0.66 KCNH2 (0.43) MEN1KMT2AGAA
SCHEMBL644102 0.65 CYP19A1 (0.43) POLBALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL10046467 0.63 ALDH1A1 (0.42) POLBMEN1KMT2AGAAALDH1A1
SCHEMBL124028 0.60 POLB (0.46) POLBMEN1KMT2ATSHRGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166595-B2 Compounds, methods and compositions CYTOKINETICS, INC. (US) 2007-01-23 — — US disclosed
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